Calculation of the rotational viscosity of a nematic liquid crystal

Cheung, David and Clark, S.J. and Wilson, Mark R. (2002) Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters, 356 (1-2). pp. 140-146. ISSN 0009-2614 (https://doi.org/10.1016/S0009-2614(02)00380-9)

Abstract

Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data has been obtained for a series of temperatures in the nematic phase. The rotational viscosity co-efficient, γ1, has been calculated using the angular velocity correlation function of the nematic director, n, the mean squared diffusion of n and statistical mechanical methods based on the rotational diffusion co-efficient. We find good agreement between the first two methods and experimental values.

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• Item metadata

  Item type:	Article
  ID code:	43489
  Dates:	Date Event 15 April 2002 Published
  Subjects:	Science > Chemistry
  Department:	Faculty of Science > Pure and Applied Chemistry
  Depositing user:	Pure Administrator
  Date deposited:	15 Apr 2013 10:31
  Last modified:	11 Nov 2024 10:23
  URI:	https://strathprints.strath.ac.uk/id/eprint/43489